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Structure Information
Structure

Compound Identification

SMILES

C1CCC(CC1)NC1CCCCC1.OC(=O)CCNSC1=CC=CC=C1[N+]([O-])=O

InChIKey

InChIKey=OTYRFDYLMVXNKN-UHFFFAOYSA-N

Formula

C21H33N3O4S

Mass

423.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Beta amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Cyclohexylamine - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxoazanium - Secondary amine - Organosulfenic acid amide - Sulfenyl compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Amine - Organic oxide - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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